SCHEMBL10517587

SCHEMBL10517587

CC1(C)C(=O)Nc2cc(O)c(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.45
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
PGR P06401 8/20 0.41
MAPK14 Q16539 2/20 0.39
PDE3B Q13370 7/20 0.39
PDE3A Q14432 7/20 0.39
PDE4A P27815 6/20 0.37
PDE4B Q07343 6/20 0.37
PDE4C Q08493 6/20 0.37
PDE4D Q08499 6/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9559266 0.98 ATAD2 (0.44) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL4138321 0.85 ATAD2 (0.50) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL5757053 0.80 ATAD2 (0.46) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL31219713 0.79 ATAD2 (0.45) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL2490212 0.76 PDK2 (0.45) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL31335591 0.76 ATAD2 (0.42) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL31335589 0.76 ATAD2 (0.42) ATAD2PDK2PDK4PGRMAPK14
SCHEMBL2487418 0.73 TDP1 (0.49) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL9559318 0.73 PGR (0.48) ATAD2PDK2PDK4PGRPDE3B
SCHEMBL2486621 0.72 PDK2 (0.45) ATAD2PDK2PDK4PGRMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334289-A1 Heterocyclic substituted 5,7-dihydropyrrolo (3,2-f) benzoxazol-6-ones, process for their preparation and drugs containing same Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed